SCHEMBL31195397

SCHEMBL31195397

CC[S@](=N)(=O)c1ccc(Nc2nc(NC)c(-c3cncc4c3ncn4C)nc2C(=O)OC)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 10/20 0.35
▸ CDK2 P24941 10/20 0.35
▸ KDR P35968 9/20 0.35
▸ CCNB1 P14635 2/20 0.34
▸ CCNE1 P24864 2/20 0.34
▸ PDE5A O76074 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30206105 1.00 CDK1 (0.35) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL24945000 0.92 CDK1 (0.34) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL30205605 0.92 CDK1 (0.34) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL31195426 0.92 CDK1 (0.34) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL30206330 0.90 SYK (0.30) —
SCHEMBL30205929 0.90 — —
SCHEMBL30206107 0.86 CYP1A2 (0.35) CDK2
SCHEMBL29173378 0.86 CYP1A2 (0.35) CDK2
SCHEMBL29173540 0.85 SYK (0.36) —
SCHEMBL30206043 0.85 SYK (0.32) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 — — EP disclosed
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2024-11-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PDXK, PGK1, PGK2 CDK1 229/4885CDK2 177/4885KDR 2402/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback